(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene

C10H14F2 — CID 149203613

IUPAC(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
SMILESC=C(F)/C=C(C(\F)=C/C)/C(C)C
InChIInChI=1S/C10H14F2/c1-5-10(12)9(7(2)3)6-8(4)11/h5-7H,4H2,1-3H3/b9-6-,10-5+
InChIKeyXFEGYHKMXCLRJR-SCWCTGRGSA-N
MW172.22 g/mol
LogP3.93
Rot. Bonds3

About (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene

(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene (PubChem CID 149203613) has the molecular formula C10H14F2 and a molecular weight of 172.22 g/mol. Its IUPAC name is (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene.

Molecular Properties

Compound Name(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
PubChem CID149203613
Molecular FormulaC10H14F2
Molecular Weight172.22 g/mol
Exact Mass172.11
IUPAC Name(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene
SMILESC=C(F)/C=C(C(\F)=C/C)/C(C)C
InChIInChI=1S/C10H14F2/c1-5-10(12)9(7(2)3)6-8(4)11/h5-7H,4H2,1-3H3/b9-6-,10-5+
InChIKeyXFEGYHKMXCLRJR-SCWCTGRGSA-N
XLogP3.93
TPSA0.00 Ų
H-Bond Donors
H-Bond Acceptors
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.22
LogP ≤ 53.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 100

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'polyene', 'substructure': 'N/A'}

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Related Compounds

(3E,5Z)-2,4-difluoro-5-propan-2-ylhepta-1,3,5-triene
CID 89217781
(3E)-5-fluoro-3-[(Z)-prop-1-enyl]hexa-3,5-dien-2-ol
CID 167213981
2-(5-fluoro-2-methylhexa-3,5-dien-3-yl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CID 123849356
(3E)-3-fluoro-2-methylpenta-1,3-diene
CID 13165650
4,5-difluoro-3-propan-2-ylhepta-1,3,5-triene
CID 123433916
(3Z)-3,4-difluoro-6-methyl-5-methylidenehepta-1,3-dien-2-amine
CID 142348700
(2E,4E)-4-bromo-6-fluorohepta-2,4,6-trien-3-ol
CID 178133361
4-[(3E)-2-fluoro-6-methyl-5-methylidenehepta-1,3-dien-4-yl]oxyoxane
CID 176701504
(3E,5E)-2,4,6-trifluorohepta-1,3,5-triene
CID 118964187
2,3-difluoro-5-methyl-4-methylidenehex-2-ene
CID 123737950
1,1-difluoroethene;ethenoxyethene;hydrofluoride
CID 175002804
(3E,5Z)-2-fluoro-4-prop-1-en-2-ylhepta-1,3,5-triene
CID 144683889

Frequently Asked Questions

What is the IUPAC name of (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene?
The IUPAC name of (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene (CID 149203613) is (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene.
What is the SMILES notation for (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene?
The canonical SMILES for (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene is C=C(F)/C=C(C(\F)=C/C)/C(C)C.
What is the InChIKey of (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene?
The InChIKey is XFEGYHKMXCLRJR-SCWCTGRGSA-N. The full InChI is InChI=1S/C10H14F2/c1-5-10(12)9(7(2)3)6-8(4)11/h5-7H,4H2,1-3H3/b9-6-,10-5+.
What are the key properties of (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene?
(3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene has a molecular weight of 172.22 g/mol, XLogP of 3.93, 3 rotatable bonds, 0 hydrogen bond donors, and 0 hydrogen bond acceptors.
Where does this data come from?
All data for (3Z,5E)-2,5-difluoro-4-propan-2-ylhepta-1,3,5-triene is sourced from PubChem (CID 149203613), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).